α-Methylcinnamic acid - CAS 1199-77-5

Catalog:	BB004693
Product Name:	α-Methylcinnamic acid
CAS:	1199-77-5
Synonyms:	(E)-2-methyl-3-phenylprop-2-enoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(E)-2-methyl-3-phenylprop-2-enoic acid
Description:	α-Methylcinnamic acid (CAS# 1199-77-5) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	CC(=CC1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChI Key:	XNCRUNXWPDJHGV-BQYQJAHWSA-N
Boiling Point:	288.3 °C at 760 mmHg
Melting Point:	79-81 °C
Purity:	> 98.0 % (GC) (T)
Density:	1.147 g/cm³
Appearance:	White crystal
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00002652
LogP:	2.17450

Publication Number	Title	Priority Date
CN-112299945-A	Method for synthesizing alkyl olefin by coupling double-bond carbon-hydrogen bond and saturated carbon-hydrogen bond	20201031
CN-112321377-A	Method for synthesizing tri-substituted and tetra-substituted olefin by alkylation of non-terminal olefin	20201031
CN-111701546-A	Yellowing-resistant and high temperature-resistant expandable microsphere as well as preparation method and application thereof	20200630
CN-111217694-A	method for selectively reducing carbon-carbon double bond in Î±, beta-unsaturated carbonyl compound	20200212
CN-111099986-A	Hydrogenation process	20191213

PMID	Publication Date	Title	Journal
23933386	20131001	Gene expression profiling for analysis acquired oxaliplatin resistant factors in human gastric carcinoma TSGH-S3 cells: the role of IL-6 signaling and Nrf2/AKR1C axis identification	Biochemical pharmacology
18755171	20081022	Reduction of doxorubicin and oracin and induction of carbonyl reductase in human breast carcinoma MCF-7 cells	Chemico-biological interactions
16337332	20060327	Cinnamic acids as new inhibitors of 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3)	Molecular and cellular endocrinology
15929156	20050704	Achiral ligands dramatically enhance rate and enantioselectivity in the Rh/phosphoramidite-catalyzed hydrogenation of alpha,beta-disubstituted unsaturated acids	Angewandte Chemie (International ed. in English)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2